3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclohexyl]propanoic acid

Systemtic Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclohexyl]propanoic acid Openeye Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclohexyl]propanoic acid CAS Name: 3-[1-[[3-(2-ethyl-1,3-benzothiazol-6-yl)propylamino]-oxomethyl]cyclohexyl]propanoic acid IUPAC Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclohexyl]propanoic acid Traditional Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclohexyl]propionic acid Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(S1)C=C(C=C2)CCCNC(=O)C3(CCCCC3)CCC(=O)O

Isomeric SMILES

CCC1=NC2=C(S1)C=C(C=C2)CCCNC(=O)C3(CCCCC3)CCC(=O)O

InChI

InChI=1S/C22H30N2O3S/c1-2-19-24-17-9-8-16(15-18(17)28-19)7-6-14-23-21(27)22(13-10-20(25)26)11-4-3-5-12-22/h8-9,15H,2-7,10-14H2,1H3,(H,23,27)(H,25,26)